N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide

C16H20N2O4 — CID 167966405

IUPACN-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CC[C@@H](O)[C@H]1c1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-3-14(20)17-10-15(21)18-9-8-12(19)16(18)11-6-4-5-7-13(11)22-2/h3-7,12,16,19H,1,8-10H2,2H3,(H,17,20)/t12-,16-/m1/s1
InChIKeyRBCZGHSLJNHUFK-MLGOLLRUSA-N
MW304.35 g/mol
LogP0.63
Rot. Bonds5

About N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide

N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 167966405) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide
PubChem CID167966405
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CC[C@@H](O)[C@H]1c1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-3-14(20)17-10-15(21)18-9-8-12(19)16(18)11-6-4-5-7-13(11)22-2/h3-7,12,16,19H,1,8-10H2,2H3,(H,17,20)/t12-,16-/m1/s1
InChIKeyRBCZGHSLJNHUFK-MLGOLLRUSA-N
XLogP0.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166405811
N-[2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]benzamide
CID 4679828
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
1-[(2S,3S)-3-amino-2-(2-methoxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 122152309
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
tert-butyl (2S,3S)-3-amino-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 124670975
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
2-methoxy-N-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzamide
CID 42932893
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86885892
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide (CID 167966405) is N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N1CC[C@@H](O)[C@H]1c1ccccc1OC.
What is the InChIKey of N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is RBCZGHSLJNHUFK-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-14(20)17-10-15(21)18-9-8-12(19)16(18)11-6-4-5-7-13(11)22-2/h3-7,12,16,19H,1,8-10H2,2H3,(H,17,20)/t12-,16-/m1/s1.
What are the key properties of N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide?
N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3R)-3-hydroxy-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 167966405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).